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Ligand · J77

J77 · (methylpyridazine piperidine ethyloxyphenyl)ethylacetate

J77, (methylpyridazine piperidine ethyloxyphenyl)ethylacetate (C21 H27 N3 O3, 369.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
J77
Formula
C21 H27 N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

J77 in 4 structures; the first of them:

  • 1PO2 · Poliovirus (type 1, mahoney) in complex with R77975, an inhibitor of viral replication · J77 10 · binds ILE110, THR111, TYR112, LYS113, PHE130, MET132, LEU134, TYR159 and 11 more
  • 1VBC · Poliovirus (type 3, sabin strain) (P3/SABIN, P3/LEON/12A(1)B) complexed with R77975 · J77 1500 · binds ILE110, TYR112, PHE130, MET132, PHE134, TYR159, PRO181, ILE183 and 11 more
  • 1PO2 · Poliovirus (type 1, mahoney) in complex with R77975, an inhibitor of viral replication · J77 10 · binds ILE110, THR111, TYR112, LYS113, PHE130, MET132, LEU134, TYR159 and 11 more
  • 1VBC · Poliovirus (type 3, sabin strain) (P3/SABIN, P3/LEON/12A(1) B) complexed with R77975 · J77 1500 · binds ILE110, TYR112, PHE130, MET132, PHE134, TYR159, PRO181, ILE183 and 11 more

Residues it binds most

ILE 4, TYR 4, PHE 4, VAL 4, LEU 4, MET 4, ALA 4, PRO 4, SER 4, ASP 2 (residue and the binding sites it lines).

Found with

  • MYR · Myristic acid

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